SCHEMBL4145872

SCHEMBL4145872

COc1c(C(=O)O)ccc2[nH]nc(/C=C/c3ccccn3)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.45
FGFR1 P11362 6/20 0.45
NTRK1 P04629 5/20 0.43
NTRK2 Q16620 5/20 0.43
LCK P06239 3/20 0.43
CSF1R P07333 3/20 0.43
PDGFRB P09619 3/20 0.43
KIT P10721 3/20 0.43
PDGFRA P16234 3/20 0.43
PLK4 O00444 2/20 0.43
AURKA O14965 2/20 0.43
MAP4K4 O95819 2/20 0.43
PAK4 O96013 2/20 0.43
ABL1 P00519 2/20 0.43
RET P07949 2/20 0.43
MET P08581 2/20 0.43
FLT1 P17948 2/20 0.43
FGFR3 P22607 2/20 0.43
TYK2 P29597 2/20 0.43
AXL P30530 2/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4145878 1.00 KDR (0.45) KDRFGFR1NTRK1NTRK2LCK
SCHEMBL4145333 0.90 KDR (0.46) KDRFGFR1NTRK1NTRK2LCK
SCHEMBL4145329 0.90 KDR (0.46) KDRFGFR1NTRK1NTRK2LCK
SCHEMBL4145304 0.87 RAB9A (0.34) KDRFGFR1NTRK1NTRK2LCK
SCHEMBL4145309 0.87 RAB9A (0.34) KDRFGFR1NTRK1NTRK2LCK
SCHEMBL4145366 0.86 KDR (0.44) KDRFGFR1LCKAURKAAURKB
SCHEMBL4145369 0.86 KDR (0.44) KDRFGFR1LCKAURKAAURKB
SCHEMBL4145370 0.85 PIM1 (0.36) KDRFGFR1TYK2
SCHEMBL4145364 0.85 PIM1 (0.36) KDRFGFR1TYK2
SCHEMBL4153068 0.84 KDR (0.56) KDRFGFR1NTRK1NTRK2LCK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B KDR 932/4885FGFR1 278/4885NTRK1 922/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B KDR 1044/4885FGFR1 328/4885NTRK1 897/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.